7-chloranyl-N-[1-(2-methylphenoxy)propan-2-yl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 7-chloranyl-N-[1-(2-methylphenoxy)propan-2-yl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-N-[1-methyl-2-(2-methylphenoxy)ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-N-[1-(2-methylphenoxy)propan-2-yl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-N-[1-(2-methylphenoxy)propan-2-yl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-5-mesyl-N-[1-methyl-2-(2-methylphenoxy)ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1OCC(C)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H25ClN2O5S/c1-14-6-4-5-7-18(14)28-13-15(2)23-21(25)20-10-11-24(30(3,26)27)17-12-16(22)8-9-19(17)29-20/h4-9,12,15,20H,10-11,13H2,1-3H3,(H,23,25)